[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O5/c1-2-3-12(17)20-7-11(16)14-10-6-8(15(18)19)4-5-9(10)13/h4-6H,2-3,7H2,1H3,(H,14,16)